UCSF

ZINC19865127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 5.01 -37.78 2 3 1 28 257.357 2
Mid Mid (pH 6-8) 2.73 2.54 -7.81 1 3 0 27 256.349 2
Mid Mid (pH 6-8) 2.73 4.88 -32.7 2 3 1 28 257.357 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )